Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 13/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.51 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.51 |
| ▸ | ITGB6 | P18564 | 5/20 | 0.51 |
| ▸ | ITGB8 | P26012 | 4/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13355164 | 0.89 | ITGB3 (0.56) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL3131367 | 0.88 | CXCR4 (0.58) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL13355445 | 0.85 | ITGAV (0.55) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL1817178 | 0.84 | CXCR4 (0.55) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL13355442 | 0.84 | ITGB3 (0.59) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL3139006 | 0.80 | CXCR4 (0.51) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL3135105 | 0.80 | ITGAV (0.47) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL1819351 | 0.79 | CXCR4 (0.45) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL1819353 | 0.79 | CXCR4 (0.45) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL3269318 | 0.79 | ITGAV (0.46) | ITGAVITGB3ITGB5ITGB6ITGB8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010057101-A2 | COMPOUNDS USEFUL AS HIV BLOCKERS | SCHERING CORPORATION (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010057101-A2 | COMPOUNDS USEFUL AS HIV BLOCKERS | SCHERING CORPORATION (US) | 2010-05-20 | — | — | WO | disclosed |